%chk=000241428.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241428

0 1
O 5.870072 -0.999834 -0.010691
O -5.869970 -0.999544 -0.012890
O 0.000099 1.181515 0.017000
N 1.179174 -0.848101 -0.009574
N -1.179068 -0.848039 -0.010170
N 2.375548 -0.187579 -0.000979
N -2.375412 -0.187471 -0.001018
C 4.735353 -0.153728 -0.000405
C -4.735214 -0.153510 -0.000955
C 5.127942 1.163000 0.015776
C -5.127745 1.163208 0.017357
C 6.568930 1.167828 0.015969
C -6.568733 1.168103 0.017267
C 3.482214 -0.884214 -0.009491
C -3.482108 -0.884038 -0.011025
C 6.972865 -0.141520 -0.000062
C -6.972725 -0.141197 -0.001044
C 0.000072 -0.015858 0.001153
H 4.490727 2.030084 0.026373
H -4.490492 2.030243 0.029530
H 7.182422 2.048672 0.026834
H -7.182186 2.048957 0.029482
H 3.586498 -1.980704 -0.023231
H -3.586440 -1.980497 -0.026690
H 7.904982 -0.660792 -0.006345
H -7.904866 -0.660415 -0.008389
H 1.124854 -1.870727 -0.022142
H -1.124794 -1.870640 -0.024838


%chk=000241428-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241428

0 1
O 5.844028 -1.146278 -0.012821
O -5.843933 -1.145988 -0.015017
O 0.000107 1.517529 0.020487
N 1.162553 -0.544764 -0.005097
N -1.162432 -0.544699 -0.006057
N 2.404346 0.051518 0.001938
N -2.404199 0.051625 0.002009
C 4.790098 -0.195861 -0.001053
C -4.789961 -0.195639 -0.001599
C 5.331050 1.089860 0.014789
C -5.330857 1.090076 0.016446
C 6.765510 0.946763 0.012850
C -6.765323 0.947046 0.014248
C 3.455599 -0.747433 -0.007719
C -3.455487 -0.747258 -0.009222
C 7.041346 -0.413469 -0.003908
C -7.041219 -0.413143 -0.004834
C 0.000079 0.272792 0.004828
H 4.752287 2.010457 0.026254
H -4.752054 2.010627 0.029474
H 7.500336 1.749207 0.022672
H -7.500114 1.749504 0.025432
H 3.391867 -1.853331 -0.021049
H -3.391804 -1.853132 -0.024644
H 7.953639 -1.002946 -0.011297
H -7.953538 -1.002568 -0.013245
H 1.077236 -1.573689 -0.016998
H -1.077161 -1.573602 -0.020066


